chempirical

2,4-Dinitrobenzoic acid

C7H4N2O6CAS 610-30-0212.12 g/mol

Open in Covalent MOL file
OHON+OO−N+OO−
Carboxylic acidNitro

Properties

Molecular formula
C7H4N2O6
Molar mass
212.12 g/mol
Exact mass
212.0069 Da
Melting point
182 °C
Boiling point
184–185 °C (at 0.5 Torr)
logP
1.20Crippen estimate
Polar surface area
123.6 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
3

Identifiers

CAS number
610-30-0
SMILES
O=C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey
ZIIGSRYPZWDGBT-UHFFFAOYSA-N
InChI
InChI=1S/C7H4N2O6/c10-7(11)5-2-1-4(8(12)13)3-6(5)9(14)15/h1-3H,(H,10,11)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • Benzoic acid, 2,4-dinitro-
  • 1-Carboxy-2,4-dinitrobenzene
  • NSC 243713

Work with 2,4-Dinitrobenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Nitroterephthalic acid610-29-772 % similar 4-Fluoro-2-nitrobenzoic acid394-01-470 % similar 2-Amino-4-nitrobenzoic acid619-17-070 % similar 2-Hydroxy-4-nitrobenzoic acid619-19-270 % similar 2-Methyl-4-nitrobenzoic acid1975-51-568 % similar 2-Fluoro-4-nitrobenzoic acid403-24-768 % similar 4-Chloro-2-nitrobenzoic acid6280-88-268 % similar 5-Nitrosalicylic acid96-97-966 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,5-Dinitrosalicylaldehyde2460-59-5 3,4-Dinitrobenzoic acid528-45-0 2,5-Dinitrobenzoic acid610-28-6 3,5-Dinitrobenzoic acid99-34-3

Elsewhere

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